Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester
TL;DR: Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester (CAS 2984-79-4) is a chemical compound with molecular formula C14H20ClO5P and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-2-chloro-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl] methyl phenyl phosphate
Also Known As: Shell SD-7394, SD 7394, ENT 25,749, Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester, [(Z)-2-chloro-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl] methyl phenyl phosphate
| Molecular Formula | C14H20ClO5P |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 4.7318 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0737 |
| Heavy Atoms | 21 |
| Complexity | 509.8457 |
Chemical Identifiers
| CAS Number | 2984-79-4 |
|---|---|
| SMILES | CC(C)(C)OC/C(=C/OP(=O)(OC)OC1=CC=CC=C1)/Cl |
Product Overview
Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester (CAS 2984-79-4), with molecular formula C14H20ClO5P and molecular weight 334.07 g/mol. IUPAC: [(Z)-2-chloro-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl] methyl phenyl phosphate.
Chemical Property Profile of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester
Property Insights of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester
The XLogP value of 4.7318 indicates that Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester?
The CAS number of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester is 2984-79-4.
What is the molecular formula of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester?
The molecular formula of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester is C14H20ClO5P.
What is the molecular weight of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester?
The molecular weight of Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester is 334.07 g/mol.
Where can I buy Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester?
You can request a quote for Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, 3-tert-butoxy-2-chloropropenyl methyl phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.